4(3H)-Pyrimidinone,2-amino-6-phenoxy- supplier

Name
2-AMINO-4-HYDROXY-6-PHENOXYPYRIMIDINE
EINECS
CAS No. 313961-69-2
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₁₀H₉N₃O₂
Boiling Point 350.3 °C at 760 mmHg
Molecular Weight 203.2
Flash Point 165.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,2-amino-6-phenoxy- (9CI);2-amino-6-phenoxypyrimidin-4(3H)-one;2-Amino-6-phenoxy-4(1H)-pyrimidinone;2-Amino-6-phenoxypyrimidin-4-ol;4-pyrimidinol, 2-amino-6-phenoxy-;
PSA 81.26000
LogP 2.13790

4(3H)-Pyrimidinone,2-amino-6-phenoxy- Specification

The 4(3H)-Pyrimidinone,2-amino-6-phenoxy-, with the CAS registry number 313961-69-2, has the systematic name of 2-amino-6-phenoxypyrimidin-4(3H)-one. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C₁₀H₉N₃O₂.

The characteristics of 4(3H)-Pyrimidinone,2-amino-6-phenoxy- are as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.69; (6)ACD/BCF (pH 7.4): 8.03; (7)ACD/KOC (pH 5.5): 163.56; (8)ACD/KOC (pH 7.4): 151.08; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.14 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 53.79 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 21.32×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 165.7 °C; (20)Enthalpy of Vaporization: 59.49 kJ/mol; (21)Boiling Point: 350.3 °C at 760 mmHg; (22)Vapour Pressure: 4.43E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2/C=C(/Oc1ccccc1)\N=C(\N)N2
(2)InChI: InChI=1/C10H9N3O2/c11-10-12-8(14)6-9(13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
(3)InChIKey: NEGQSDPVDSQERW-UHFFFAOYAV

Product Name

2-AMINO-4-HYDROXY-6-PHENOXYPYRIMIDINE

4(3H)-Pyrimidinone,2-amino-6-phenoxy- Specification

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